methyl (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-naphthalen-2-yl-pent-4-enoate

Systemtic Name: methyl (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-naphthalen-2-yl-pent-4-enoate Openeye Name: methyl (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-(2-naphthyl)pent-4-enoate CAS Name: (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-(2-naphthalenyl)-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-3-benzamido-2-[(3-carbamimidoylphenyl)methyl]-5-naphthalen-2-ylpent-4-enoate Traditional Name: (E)-2-(3-amidinobenzyl)-3-benzamido-5-(2-naphthyl)pent-4-enoic acid methyl ester Formula: C31H29N3O3 MolecularWeight: 491.58026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(C=CC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C(/C=C/C2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H29N3O3/c1-37-31(36)27(20-22-8-7-13-26(19-22)29(32)33)28(34-30(35)24-10-3-2-4-11-24)17-15-21-14-16-23-9-5-6-12-25(23)18-21/h2-19,27-28H,20H2,1H3,(H3,32,33)(H,34,35)/b17-15+